Consensus flow list

Identity

Type
NeutralMolecule
CAS
2050-46-6
EC
218-089-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,2-diethoxybenzene

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QZYDOKBVZJLQCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,2-diethoxybenzene
Molecular formula chemrof:molecular_formula C10H14O2
Molecular mass chemrof:molecular_mass 166.22
Monoisotopic mass chemrof:monoisotopic_mass 166.09938
SMILES string chemrof:smiles_string CCOc1ccccc1OCC

Known URLs

9

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2050-46-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.446 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6038798 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6189 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252466 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P9DM5T78PZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J80.378B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74904 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27286413 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a176f8cb-993e-4293-9a05-4c6a82b4ee34 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fbc442b6-e3ad-4f70-a58a-c582137dc9c2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
eeaef80d-29e0-468e-825f-9a7b96416cc3 Environmental → Air → Indoor EF 3.1 kg 2
6a1790c1-f1f0-4e85-8977-38911a77a874 Environmental → Air → Long-term EF 3.1 kg 0
a3ce7c6e-e403-47bd-acc4-99e01a20bb43 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
406f83f5-4ed5-453d-8162-7d8e23b397e4 Environmental → Air → Unknown EF 3.1 kg 2
2931eac3-d4aa-453e-ad6d-5ea106db1d0b Environmental → Ground → Agricultural EF 3.1 kg 2
5c895242-2359-4ad0-a33e-1225afba6e42 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e35e4451-8e9a-498b-a0a6-5df89b557cdf Environmental → Ground → Unknown EF 3.1 kg 2
e78a8fe0-2adc-4cba-be7c-6817fa4be575 Environmental → Water → Long-term EF 3.1 kg 0
838a1fc7-b4f8-4cdb-8f5b-1a666fe0d6bd Environmental → Water → Ocean EF 3.1 kg 2
aba31e9d-ad2b-4ce8-aacc-5d66a2187a1b Environmental → Water → Surface water EF 3.1 kg 2
0ca195fa-4d92-4405-8aba-2e22c9f1e6b4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-bcf56dcda4d39c8f",
  "prefLabel": [
    {
      "@value": "1,2-diethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene, 1,2-diethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2050-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, o-diethoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2050-46-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2050-46-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Catechol diethyl ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Diethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C10H14O2"
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      "attested_by": {
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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        },
        {
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        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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        },
        {
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          ]
        }
      ],
      "attested_by": {
        "166.09938": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "0ca195fa-4d92-4405-8aba-2e22c9f1e6b4",
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  "@type": [
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}

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